(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

C23H25N3O4 — CID 28623167

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14-6-7-15(2)18(12-14)19-9-11-22(27)26(25-19)16(3)23(28)24-20-13-17(29-4)8-10-21(20)30-5/h6-13,16H,1-5H3,(H,24,28)/t16-/m0/s1
InChIKeyYRPWYNBVLRMRHD-INIZCTEOSA-N
MW407.47 g/mol
LogP3.74
Rot. Bonds6

About (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide

(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 28623167) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID28623167
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14-6-7-15(2)18(12-14)19-9-11-22(27)26(25-19)16(3)23(28)24-20-13-17(29-4)8-10-21(20)30-5/h6-13,16H,1-5H3,(H,24,28)/t16-/m0/s1
InChIKeyYRPWYNBVLRMRHD-INIZCTEOSA-N
XLogP3.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 25249770
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 84601774
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279987
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
(2R)-N-(2,5-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881820
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 28623167) is (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is YRPWYNBVLRMRHD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14-6-7-15(2)18(12-14)19-9-11-22(27)26(25-19)16(3)23(28)24-20-13-17(29-4)8-10-21(20)30-5/h6-13,16H,1-5H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 28623167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).